(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene

C14H23FO — CID 145386644

IUPAC(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene
SMILESC=C(/C=C(\C=C(\F)CC)C(CC)CC)OC
InChIInChI=1S/C14H23FO/c1-6-12(7-2)13(9-11(4)16-5)10-14(15)8-3/h9-10,12H,4,6-8H2,1-3,5H3/b13-9+,14-10+
InChIKeyNKAWLMUJQHJODX-UTLPMFLDSA-N
MW226.33 g/mol
LogP4.77
Rot. Bonds7

About (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene

(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene (PubChem CID 145386644) has the molecular formula C14H23FO and a molecular weight of 226.33 g/mol. Its IUPAC name is (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene
PubChem CID145386644
Molecular FormulaC14H23FO
Molecular Weight226.33 g/mol
Exact Mass226.17
IUPAC Name(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene
SMILESC=C(/C=C(\C=C(\F)CC)C(CC)CC)OC
InChIInChI=1S/C14H23FO/c1-6-12(7-2)13(9-11(4)16-5)10-14(15)8-3/h9-10,12H,4,6-8H2,1-3,5H3/b13-9+,14-10+
InChIKeyNKAWLMUJQHJODX-UTLPMFLDSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene (CID 145386644) is (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene is C=C(/C=C(\C=C(\F)CC)C(CC)CC)OC.
What is the InChIKey of (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene?
The InChIKey is NKAWLMUJQHJODX-UTLPMFLDSA-N. The full InChI is InChI=1S/C14H23FO/c1-6-12(7-2)13(9-11(4)16-5)10-14(15)8-3/h9-10,12H,4,6-8H2,1-3,5H3/b13-9+,14-10+.
What are the key properties of (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene?
(3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene has a molecular weight of 226.33 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-fluoro-2-methoxy-4-pentan-3-ylocta-1,3,5-triene is sourced from PubChem (CID 145386644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).